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A common starting point for drug design is to find small chemical groups or "fragments" that form interactions with distinct subregions in a protein binding pocket. The subsequent challenge is to assemble these fragments into a molecule…

Quantitative Methods · Quantitative Biology 2025-05-29 Rohan V. Koodli , Alexander S. Powers , Ayush Pandit , Chiho Im , Ron O. Dror

We revisit the choice of SGD for training deep neural networks by reconsidering the appropriate geometry in which to optimize the weights. We argue for a geometry invariant to rescaling of weights that does not affect the output of the…

Machine Learning · Computer Science 2015-06-09 Behnam Neyshabur , Ruslan Salakhutdinov , Nathan Srebro

Autonomous driving requires accurate local scene understanding information. To this end, autonomous agents deploy object detection and online BEV lane graph extraction methods as a part of their perception stack. In this work, we propose an…

Computer Vision and Pattern Recognition · Computer Science 2023-09-28 Yigit Baran Can , Alexander Liniger , Danda Pani Paudel , Luc Van Gool

Lane detection has made significant progress in recent years, but there is not a unified architecture for its two sub-tasks: 2D lane detection and 3D lane detection. To fill this gap, we introduce B\'{e}zierFormer, a unified 2D and 3D lane…

Computer Vision and Pattern Recognition · Computer Science 2024-04-26 Zhiwei Dong , Xi Zhu , Xiya Cao , Ran Ding , Wei Li , Caifa Zhou , Yongliang Wang , Qiangbo Liu

Cross-domain alignment between two sets of entities (e.g., objects in an image, words in a sentence) is fundamental to both computer vision and natural language processing. Existing methods mainly focus on designing advanced attention…

Computation and Language · Computer Science 2020-07-28 Liqun Chen , Zhe Gan , Yu Cheng , Linjie Li , Lawrence Carin , Jingjing Liu

Given their flexibility and encouraging performance, deep-learning models are becoming standard for motion prediction in autonomous driving. However, with great flexibility comes a lack of interpretability and possible violations of…

Robotics · Computer Science 2023-04-25 Theodor Westny , Joel Oskarsson , Björn Olofsson , Erik Frisk

Robustly estimating camera poses from a set of images is a fundamental task which remains challenging for differentiable methods, especially in the case of small and sparse camera pose graphs. To overcome this challenge, we propose…

Computer Vision and Pattern Recognition · Computer Science 2024-03-19 Matteo Taiana , Matteo Toso , Stuart James , Alessio Del Bue

In the domain of geometry and topology optimization, discovering geometries that optimally satisfy specific problem criteria is a complex challenge in both engineering and scientific research. In this work, we propose a new approach for the…

Computational Physics · Physics 2024-11-26 Alexander Luce , Daniel Grünbaum , Florian Marquardt

This article revolves around shape and topology optimization, in the applicative context where the objective and constraint functionals depend on the solution to a physical boundary value problem posed on the optimized domain. We introduce…

Optimization and Control · Mathematics 2024-09-13 Charles Dapogny , Bruno Levy , Edouard Oudet

This paper considers the problem of distributed optimization over time-varying graphs. For the case of undirected graphs, we introduce a distributed algorithm, referred to as DIGing, based on a combination of a distributed inexact gradient…

Optimization and Control · Mathematics 2017-03-21 Angelia Nedich , Alex Olshevsky , Wei Shi

Graph deep learning has recently emerged as a powerful ML concept allowing to generalize successful deep neural architectures to non-Euclidean structured data. Such methods have shown promising results on a broad spectrum of applications…

Machine Learning · Computer Science 2022-05-16 Anees Kazi , Luca Cosmo , Seyed-Ahmad Ahmadi , Nassir Navab , Michael Bronstein

Differential Networks (DNs), tools that encapsulate interactions within intricate systems, are brought under the Bayesian lens in this research. A novel na{\i}ve Bayesian adaptive graphical elastic net (BAE) prior is introduced to estimate…

Methodology · Statistics 2023-06-27 J. Smith , A. Bekker , M. Arashi

The image classification problem has been deeply investigated by the research community, with computer vision algorithms and with the help of Neural Networks. The aim of this paper is to build an image classifier for satellite images of…

Computer Vision and Pattern Recognition · Computer Science 2021-10-01 Jonas Bokstaller , Yihang She , Zhehan Fu , Tommaso Macrì

Robust road surface estimation is required for autonomous ground vehicles to navigate safely. Despite it becoming one of the main targets for autonomous mobility researchers in recent years, it is still an open problem in which cameras and…

Extracting roads from high-resolution remote sensing images (HRSIs) is vital in a wide variety of applications, such as autonomous driving, path planning, and road navigation. Due to the long and thin shape as well as the shades induced by…

Computer Vision and Pattern Recognition · Computer Science 2022-10-05 Ying Wang , Yuexing Peng , Xinran Liu , Wei Li , George C. Alexandropoulos , Junchuan Yu , Daqing Ge , Wei Xiang

Traffic prediction is a critical task in spatial-temporal forecasting with broad applications in travel planning and urban management. To model the complex spatial-temporal dependencies in traffic data, Spatial-Temporal Graph Convolutional…

Machine Learning · Computer Science 2026-05-01 Kaiqi Wu , Weiyang Kong , Sen Zhang , Zitong Chen , Yubao Liu

Trajectory optimization methods have achieved an exceptional level of performance on real-world robots in recent years. These methods heavily rely on accurate analytical models of the dynamics, yet some aspects of the physical world can…

Historical maps are invaluable for analyzing long-term changes in transportation and spatial development, offering a rich source of data for evolutionary studies. However, digitizing and classifying road networks from these maps is often…

Computer Vision and Pattern Recognition · Computer Science 2024-10-04 Dominik J. Mühlematter , Sebastian Schweizer , Chenjing Jiao , Xue Xia , Magnus Heitzler , Lorenz Hurni

Road-boundary detection is important for autonomous driving. It can be used to constrain autonomous vehicles running on road areas to ensure driving safety. Compared with online road-boundary detection using on-vehicle cameras/Lidars,…

Computer Vision and Pattern Recognition · Computer Science 2021-07-05 Zhenhua Xu , Yuxiang Sun , Ming Liu

Robots operating in unstructured environments often require accurate and consistent object-level representations. This typically requires segmenting individual objects from the robot's surroundings. While recent large models such as Segment…

Robotics · Computer Science 2025-04-07 Haozhan Tang , Tianyi Zhang , Oliver Kroemer , Matthew Johnson-Roberson , Weiming Zhi